| SpectraBase Compound ID | CF2PiDJXbZL |
|---|---|
| InChI | InChI=1S/C20H28F4O2/c1-2-3-4-5-6-7-8-9-10-11-14-26-19(25)16-12-13-18(21)17(15-16)20(22,23)24/h12-13,15H,2-11,14H2,1H3 |
| InChIKey | RDQPTVDQTHFFFF-UHFFFAOYSA-N |
| Mol Weight | 376.44 g/mol |
| Molecular Formula | C20H28F4O2 |
| Exact Mass | 376.202543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LtXPv5yfVSK |
|---|---|
| Name | 4-Fluoro-3-trifluoromethylbenzoic acid, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.202542792 u |
| Formula | C20H28F4O2 |
| InChI | InChI=1S/C20H28F4O2/c1-2-3-4-5-6-7-8-9-10-11-14-26-19(25)16-12-13-18(21)17(15-16)20(22,23)24/h12-13,15H,2-11,14H2,1H3 |
| InChIKey | RDQPTVDQTHFFFF-UHFFFAOYSA-N |
| Molecular Weight | 376.436 g/mol |
| SMILES | C(CCCCCCCCCOC(C1=CC(=C(C=C1)F)C(F)(F)F)=O)CC |